4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol

C21H35N3O4 — CID 72912238

IUPAC4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol
SMILESCN1CCN(CC(O)COc2ccc(CN3CCC(O)(CO)CC3)cc2)CC1
InChIInChI=1S/C21H35N3O4/c1-22-10-12-24(13-11-22)15-19(26)16-28-20-4-2-18(3-5-20)14-23-8-6-21(27,17-25)7-9-23/h2-5,19,25-27H,6-17H2,1H3
InChIKeyCFAKGZVVJGOMCC-UHFFFAOYSA-N
MW393.53 g/mol
LogP-0.01
Rot. Bonds8

About 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol

4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol (PubChem CID 72912238) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol
PubChem CID72912238
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC Name4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol
SMILESCN1CCN(CC(O)COc2ccc(CN3CCC(O)(CO)CC3)cc2)CC1
InChIInChI=1S/C21H35N3O4/c1-22-10-12-24(13-11-22)15-19(26)16-28-20-4-2-18(3-5-20)14-23-8-6-21(27,17-25)7-9-23/h2-5,19,25-27H,6-17H2,1H3
InChIKeyCFAKGZVVJGOMCC-UHFFFAOYSA-N
XLogP-0.01
TPSA79.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97284083
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
4-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-1-methylpiperazin-2-one
CID 72889018
1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72901138
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
(2R)-1-(4-methylpiperazin-1-yl)-3-[4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97281126
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol (CID 72912238) is 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol is CN1CCN(CC(O)COc2ccc(CN3CCC(O)(CO)CC3)cc2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol?
The InChIKey is CFAKGZVVJGOMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4/c1-22-10-12-24(13-11-22)15-19(26)16-28-20-4-2-18(3-5-20)14-23-8-6-21(27,17-25)7-9-23/h2-5,19,25-27H,6-17H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol has a molecular weight of 393.53 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 72912238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).